| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:14:48 UTC |
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| Update date | 2019-11-26 03:18:29 UTC |
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| Primary ID | FDB020107 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Ginsenoyne K |
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| Description | Ginsenoyne K belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, ginsenoyne K is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on Ginsenoyne K. |
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| CAS Number | 141947-42-4 |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C17H24O3 |
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| IUPAC name | (8E)-10-hydroperoxyheptadeca-1,8-dien-4,6-diyn-3-ol |
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| InChI Identifier | InChI=1S/C17H24O3/c1-3-5-6-7-11-14-17(20-19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3/b15-12+ |
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| InChI Key | SYNBBWLEYQBFQT-NTCAYCPXSA-N |
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| Isomeric SMILES | CCCCCCCC(OO)\C=C\C#CC#CC(O)C=C |
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| Average Molecular Weight | 276.3707 |
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| Monoisotopic Molecular Weight | 276.172544634 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty alcohols |
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| Direct Parent | Long-chain fatty alcohols |
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| Alternative Parents | |
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| Substituents | - Long chain fatty alcohol
- Allylic hydroperoxide
- Secondary alcohol
- Hydroperoxide
- Alkyl hydroperoxide
- Peroxol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Route of exposure: Source: Biological location: |
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| Process | Naturally occurring process: |
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| Role | Industrial application: Biological role: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Ginsenoyne K, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-6950000000-710c2c09a8c7d9c163c5 | Spectrum | | Predicted GC-MS | Ginsenoyne K, 1 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-063a-9133000000-77e66e191822dc45ce16 | Spectrum | | Predicted GC-MS | Ginsenoyne K, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0190000000-bf1e0fede071a4850feb | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0a6v-7490000000-57ee17b16d723476cd73 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0005-9110000000-28a646414d9cc65b4a90 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-1090000000-2762e4ed531963325427 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-056s-2390000000-b084061a636af9f0cb56 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4j-9540000000-4addb7d29175c28b9d22 | 2017-09-01 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004l-0090000000-d157ee22bcd8dc989ab1 | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-0390000000-0b9cf1c80dfc33c8e53c | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01tj-1950000000-897018ab4fcc9771cc6e | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-002f-0390000000-40bf72ee7445d2c1ef2d | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-002f-5590000000-819d3ed1f67ebe13b120 | 2021-09-25 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-02k9-9700000000-37bfbefdd0ff6770dacf | 2021-09-25 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | Not Available |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 15736266 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB40375 |
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| CRC / DFC (Dictionary of Food Compounds) ID | MKK92-S:MKK92-S |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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